4-((4-Chlorophenyl)methylene)-5-oxo-2-selenoxo-1-imidazolidineacetic acid

C12H8ClN2O3Se — CID 6435390

IUPAC—
SMILESO=C(O)CN1C(=O)/C(=C/c2ccc(Cl)cc2)N=C1[Se]
InChIInChI=1S/C12H8ClN2O3Se/c13-8-3-1-7(2-4-8)5-9-11(18)15(6-10(16)17)12(19)14-9/h1-5H,6H2,(H,16,17)/b9-5-
InChIKeyOFVMDPDPIQQGJF-UITAMQMPSA-N
MW342.62 g/mol
LogP1.13
Rot. Bonds3

About 4-((4-Chlorophenyl)methylene)-5-oxo-2-selenoxo-1-imidazolidineacetic acid

4-((4-Chlorophenyl)methylene)-5-oxo-2-selenoxo-1-imidazolidineacetic acid (PubChem CID 6435390) has the molecular formula C12H8ClN2O3Se and a molecular weight of 342.62 g/mol.

Molecular Properties

Compound Name4-((4-Chlorophenyl)methylene)-5-oxo-2-selenoxo-1-imidazolidineacetic acid
PubChem CID6435390
Molecular FormulaC12H8ClN2O3Se
Molecular Weight342.62 g/mol
Exact Mass342.94
IUPAC Name—
SMILESO=C(O)CN1C(=O)/C(=C/c2ccc(Cl)cc2)N=C1[Se]
InChIInChI=1S/C12H8ClN2O3Se/c13-8-3-1-7(2-4-8)5-9-11(18)15(6-10(16)17)12(19)14-9/h1-5H,6H2,(H,16,17)/b9-5-
InChIKeyOFVMDPDPIQQGJF-UITAMQMPSA-N
XLogP1.13
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]acetic acid
CID 12536181
(5Z)-5-[(4-chlorophenyl)methylidene]-3-[2-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]ethyl]-2-phenylimidazol-4-one
CID 6532748
3-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylidene]-2-methylsulfanylimidazol-4-one
CID 2726724
3-[(4Z)-4-[(4-chlorophenyl)methylidene]-2-(4-methylphenyl)-5-oxoimidazol-1-yl]propanoate
CID 2150154
2-[(4Z)-2-ethanimidoyl-4-[(4-hydroxyphenyl)methylidene]-5-oxoimidazol-1-yl]acetic acid
CID 137350180
4-[(4E)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]butanoic acid
CID 6447285
4-[(4E)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]butanoic acid
CID 6447270
ethyl 2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]acetate
CID 14176152
5-[(4-chlorophenyl)methylidene]-3-methyl-2-phenylimidazol-4-one
CID 71951452
(5Z)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one
CID 6014630
(5Z)-5-benzylidene-3-[2-[(4E)-4-benzylidene-2-(2,4-dichlorophenyl)-5-oxoimidazol-1-yl]ethyl]-2-(2,4-dichlorophenyl)imidazol-4-one
CID 6223567
2-[(2E)-2-[(4-chlorophenyl)methylidene]-6-methyl-3-oxo-1,4-benzoxazin-4-yl]acetic acid
CID 28863751

Frequently Asked Questions

What is the IUPAC name of 4-((4-Chlorophenyl)methylene)-5-oxo-2-selenoxo-1-imidazolidineacetic acid?
The IUPAC name of 4-((4-Chlorophenyl)methylene)-5-oxo-2-selenoxo-1-imidazolidineacetic acid (CID 6435390) is not available.
What is the SMILES notation for 4-((4-Chlorophenyl)methylene)-5-oxo-2-selenoxo-1-imidazolidineacetic acid?
The canonical SMILES for 4-((4-Chlorophenyl)methylene)-5-oxo-2-selenoxo-1-imidazolidineacetic acid is O=C(O)CN1C(=O)/C(=C/c2ccc(Cl)cc2)N=C1[Se].
What is the InChIKey of 4-((4-Chlorophenyl)methylene)-5-oxo-2-selenoxo-1-imidazolidineacetic acid?
The InChIKey is OFVMDPDPIQQGJF-UITAMQMPSA-N. The full InChI is InChI=1S/C12H8ClN2O3Se/c13-8-3-1-7(2-4-8)5-9-11(18)15(6-10(16)17)12(19)14-9/h1-5H,6H2,(H,16,17)/b9-5-.
What are the key properties of 4-((4-Chlorophenyl)methylene)-5-oxo-2-selenoxo-1-imidazolidineacetic acid?
4-((4-Chlorophenyl)methylene)-5-oxo-2-selenoxo-1-imidazolidineacetic acid has a molecular weight of 342.62 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-((4-Chlorophenyl)methylene)-5-oxo-2-selenoxo-1-imidazolidineacetic acid is sourced from PubChem (CID 6435390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).